SCHEMBL14133151

SCHEMBL14133151

Nc1nc(-c2cccc(Br)c2)nnc1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.54
NPC1 O15118 4/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
CSNK1A1 P48729 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPT P10636 3/20 0.48
TSHR P16473 2/20 0.48
HPGD P15428 2/20 0.48
HTT P42858 1/20 0.48
TP53 P04637 1/20 0.45
DHPS P49366 2/20 0.44
HK1 P19367 1/20 0.43
HKDC1 Q2TB90 1/20 0.43
ADORA2A P29274 3/20 0.42
ADORA1 P30542 3/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL980758 0.79 CSNK1A1 (0.62) RAB9ANPC1RXFP1CSNK1A1CLK4
SCHEMBL28327930 0.79 SMN1; SMN2 (0.57) RAB9ANPC1MEN1KMT2ANPSR1
SCHEMBL2319466 0.76 ADORA2A (0.71) CSNK1A1CLK4ADORA2AADORA1
SCHEMBL31061566 0.75 CYP1A1 (0.68) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL23162526 0.74 IDO1 (0.56) RAB9ANPC1MEN1KMT2ACLK4
SCHEMBL29446652 0.74 IDO1 (0.56) RAB9ANPC1MEN1KMT2ACLK4
SCHEMBL782911 0.74 RAB9A (0.61) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL30495451 0.74 RAB9A (0.61) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL782274 0.74 RAB9A (0.61) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL29622959 0.74 RAB9A (0.61) RAB9ANPC1MEN1KMT2ASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120302581-A1 Methods and Compositions for the Treatment of RAS Associated Disorders THE TRUSTEES OF DARTMOUTH COLLEGE 2012-11-29 US disclosed
US-20120302581-A1 Methods and Compositions for the Treatment of RAS Associated Disorders THE TRUSTEES OF DARTMOUTH COLLEGE 2012-11-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120302581-A1 Methods and Compositions for the Treatment of RAS Associated Disorders NRAS, HRAS, KRAS RAB9A 596/4885NPC1 2089/4885MEN1 40/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.